Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PABPC1 | P11940 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9172343 | 0.98 | PABPC1 (0.45) | PABPC1KMT2AATMGGPS1KDM4E | |
| SCHEMBL29558847 | 0.94 | KDM4E (0.45) | PABPC1KMT2AATMGGPS1KDM4E | |
| SCHEMBL28667234 | 0.94 | KDM4E (0.45) | PABPC1KMT2AATMGGPS1KDM4E | |
| SCHEMBL25948749 | 0.83 | KMT2A (0.43) | PABPC1KMT2AATMGGPS1KDM4E | |
| Water SCHEMBL1047262 | 0.83 | HTT (0.48) | PABPC1ALDH1A1 | |
| SCHEMBL21523393 | 0.82 | PABPC1 (0.53) | PABPC1GGPS1KDM4ELMNAALDH1A1 | |
| SCHEMBL3072750 | 0.81 | HTT (0.50) | PABPC1ALDH1A1 | |
| SCHEMBL8739576 | 0.80 | KDM4E (0.53) | PABPC1KMT2AATMKDM4ELMNA | |
| SCHEMBL16673982 | 0.80 | KDM4E (0.48) | PABPC1KMT2AATMGGPS1KDM4E | |
| Sulfuric Acid SCHEMBL21195048 | 0.79 | LMNA (0.47) | PABPC1KMT2AATMGGPS1KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4726304-B2 | — | — | 2011-07-20 | — | — | JP | claimed |
| US-20050048000-A1 | Amyloid targeting imaging agents and uses thereof | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2005-03-03 | — | — | US | claimed |
| JP-2003517458-A | — | — | 2003-05-27 | — | — | JP | claimed |
| EP-1303311-A2 | AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF | Neurochem, Inc. (CA) | 2003-04-23 | — | — | EP | claimed |
| EP-1276483-A2 | COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2003-01-22 | — | — | EP | claimed |
| US-20020115717-A1 | Amyloid targeting imaging agents and uses thereof | NEUROCHEM (INTERNATIONAL) LIMITED (GI) | 2002-08-22 | — | — | US | claimed |
| WO-2002007781-A2 | AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF | NEUROCHEM INC. (CA) | 2002-01-31 | — | — | WO | claimed |
| WO-2000064420-A2 | COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2000-11-02 | — | — | WO | claimed |
| US-7311893-B2 | Amyloid targeting imaging agents and uses thereof | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2007-12-25 | — | — | US | disclosed |
| US-20050048000-A1 | Amyloid targeting imaging agents and uses thereof | NEUROCHEM (INTERNATIONAL) LIMITED (CH) | 2005-03-03 | — | — | US | disclosed |
| EP-1303311-A2 | AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF | Neurochem, Inc. (CA) | 2003-04-23 | — | — | EP | disclosed |
| US-20020115717-A1 | Amyloid targeting imaging agents and uses thereof | NEUROCHEM (INTERNATIONAL) LIMITED (GI) | 2002-08-22 | — | — | US | disclosed |
| WO-2002007781-A2 | AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF | NEUROCHEM INC. (CA) | 2002-01-31 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050048000-A1 | Amyloid targeting imaging agents and uses thereof | APP, APBA1, BACE1 | PABPC1 1653/4885KMT2A 3512/4885ATM 4706/4885 |
| US-20020115717-A1 | Amyloid targeting imaging agents and uses thereof | APP, APBA1, BACE1 | PABPC1 1653/4885KMT2A 3512/4885ATM 4706/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.